REMARK  Name = BDB051198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.598  -1.344  -0.776  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.236  -2.357  -1.686  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.352  -1.909  -2.874  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.720  -2.845  -3.832  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.533  -4.216  -3.639  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.033  -4.672  -2.457  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        0.577  -0.621  -3.131  0.00  0.00    -0.221 NA
ATOM      8  C   LIG    1        0.232   0.264  -2.188  0.00  0.00    +0.195 A 
ATOM      9  C   LIG    1       -0.414  -3.752  -1.483  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.348  -0.046  -1.024  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -1.248  -1.708   0.439  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -2.005  -2.354   0.234  0.00  0.00    +0.155 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -0.824   1.645   4.118  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -1.227   0.547   3.208  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1       -2.301  -0.207   3.477  0.00  0.00    -0.178 NA
ATOM     16  N   LIG    1       -2.340  -1.079   2.455  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -3.079  -1.770   2.452  0.00  0.00    +0.190 HD
ATOM     18  C   LIG    1       -1.347  -0.903   1.528  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -0.597   0.146   2.007  0.00  0.00    +0.068 A 
ENDBRANCH  11  18
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  S   LIG    1        0.531   1.977  -2.565  0.00  0.00    -0.050 S 
BRANCH  20  21
ATOM     21  C   LIG    1        0.937   2.636  -0.962  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        2.194   2.403  -0.393  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        2.510   2.936   0.861  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        1.569   3.705   1.543  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        1.951   4.350   3.090  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1        0.318   3.951   0.981  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        0.005   3.420  -0.273  0.00  0.00    +0.016 A 
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 4